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Structurally chiral materials hosting multifold fermions with large topological number have attracted considerable attention because of their naturally long surface Fermi arcs and bulk quantized circular photogalvanic effect (CPGE). Multifold fermions only appear in metallic states, and therefore, most studies so far have only focused on the semimetals in compounds with chiral crystal structures. In this work, we show that the structurally chiral topological trivial insulators are also exotic states, which is interesting from the application point of view, owing to their natural advantage to host a large bulk photovoltaic effect in the visible wavelength region. In the last decades, the shift current in the visible wavelength region was limited to be 10 uA/V2 . By scanning the insulators with chiral structure, we found a class of compounds with photoconductivity ranging from 20 to 80 uA/V2 , which is approximately one order of magnitude larger than that reported in other real materials. This work illustrates that the compounds with chiral structure can host both quantum CPGE and a strong shift current in the second order optical response. Moreover, this work offers a good platform for the study of the shift current and its future application by putting the focus on insulator with chiral lattices, so far overlooked in photovoltaic technologies.
The correlation between the shift current mechanism for the bulk photovoltaic effect (BPVE) and the structural and electronic properties of ferroelectric perovskite oxides is not well understood. Here, we study and engineer the shift current photovol
We calculate the bulk photovoltaic response of the ferroelectrics BaTiO$_3$ and PbTiO$_3$ from first principles by applying shift current theory to the electronic structure from density functional theory. The first principles results for BaTiO$_3$ re
Spin current generators are critical components for spintronics-based information processing. In this work, we theoretically and computationally investigate the bulk spin photovoltaic (BSPV) effect for creating DC spin current under light illuminatio
Ferroelectric photovoltaic materials are an alternative to semiconductor-based photovoltaics and offer the advantage of above bandgap photovoltage generation. However, there are few known compounds, and photovoltaic efficiencies remain low. Here, we
Following the recent discovery of a bulk photovoltaic effect in the Pb[(Mg1/3Nb2/3)0.68Ti0.32]O3 crystal, we report here more than one order of magnitude improvement of photovoltaicity as well as its poling dependence in the related composition of le